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Chemical ID: 5059091
Chemical ID:
5059091
Name [?]:
N-(3-dimethylamino-2-methyl-propyl)-4-methoxy-benzamide
SMILES [?]:
CC(CNC(=O)c1ccc(cc1)OC)CN(C)C
InChi [?]:
InChI=1/C14H22N2O2/c1-11(10-16(2)3)9-15-14(17)12-5-7-13(18-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,18,14,8,12,9,11,3,15,2,7,10,5,4,16,6,13/E:(2,3)(5,6)(7,8)/rA:18cCCCNCOCCCCCCOCCNCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s2;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.55789 |
Area: | 474.131 |
Solvation: | -3.29539 |
Coulombic: | -34.5509 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 250.337 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.85 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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